1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene

C10H8Br4O — CID 130532004

IUPAC1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
SMILESCCOc1c(Br)cc(Br)cc1C=C(Br)Br
InChIInChI=1S/C10H8Br4O/c1-2-15-10-6(4-9(13)14)3-7(11)5-8(10)12/h3-5H,2H2,1H3
InChIKeyADXGEMRYYLAOBX-UHFFFAOYSA-N
MW463.79 g/mol
LogP5.70
Rot. Bonds3

About 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene

1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene (PubChem CID 130532004) has the molecular formula C10H8Br4O and a molecular weight of 463.79 g/mol. Its IUPAC name is 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene.

Molecular Properties

Compound Name1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
PubChem CID130532004
Molecular FormulaC10H8Br4O
Molecular Weight463.79 g/mol
Exact Mass459.73
IUPAC Name1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
SMILESCCOc1c(Br)cc(Br)cc1C=C(Br)Br
InChIInChI=1S/C10H8Br4O/c1-2-15-10-6(4-9(13)14)3-7(11)5-8(10)12/h3-5H,2H2,1H3
InChIKeyADXGEMRYYLAOBX-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.79
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-enal
CID 79331302
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334570
3-(3,5-dibromo-2-ethoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329832
3-(3,5-dibromo-2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340569
N-[(3,5-dibromo-2-ethoxyphenyl)methylidene]hydroxylamine
CID 75574757
2-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329452
5-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598848
3-(3,5-dibromo-2-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334797
(4Z)-4-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 126099457
2-[(3,5-dibromo-2-propoxyphenyl)methylidene]butanal
CID 79335525
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
(E)-2-cyano-3-(3,5-dibromo-2-ethoxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 126053246

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene?
The IUPAC name of 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene (CID 130532004) is 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene.
What is the SMILES notation for 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene?
The canonical SMILES for 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene is CCOc1c(Br)cc(Br)cc1C=C(Br)Br.
What is the InChIKey of 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene?
The InChIKey is ADXGEMRYYLAOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br4O/c1-2-15-10-6(4-9(13)14)3-7(11)5-8(10)12/h3-5H,2H2,1H3.
What are the key properties of 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene?
1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene has a molecular weight of 463.79 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene is sourced from PubChem (CID 130532004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).